5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione

C15H14N2O3 — CID 61356229

IUPAC5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione
SMILESCc1cc(C)c2c(c1)C(=O)C(=O)N2Cc1cc(C)no1
InChIInChI=1S/C15H14N2O3/c1-8-4-9(2)13-12(5-8)14(18)15(19)17(13)7-11-6-10(3)16-20-11/h4-6H,7H2,1-3H3
InChIKeyWNQNKSNPENOKGR-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.33
Rot. Bonds2

About 5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione

5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione (PubChem CID 61356229) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione
PubChem CID61356229
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione
SMILESCc1cc(C)c2c(c1)C(=O)C(=O)N2Cc1cc(C)no1
InChIInChI=1S/C15H14N2O3/c1-8-4-9(2)13-12(5-8)14(18)15(19)17(13)7-11-6-10(3)16-20-11/h4-6H,7H2,1-3H3
InChIKeyWNQNKSNPENOKGR-UHFFFAOYSA-N
XLogP2.33
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione?
The IUPAC name of 5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione (CID 61356229) is 5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione is Cc1cc(C)c2c(c1)C(=O)C(=O)N2Cc1cc(C)no1.
What is the InChIKey of 5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione?
The InChIKey is WNQNKSNPENOKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-8-4-9(2)13-12(5-8)14(18)15(19)17(13)7-11-6-10(3)16-20-11/h4-6H,7H2,1-3H3.
What are the key properties of 5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione?
5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione has a molecular weight of 270.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61356229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).